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Cristobalite |
 |
Downs R T, Palmer D C |
 |
American Mineralogist 79 (1994) 9-14 |
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The pressure behavior of alpha cristobalite |
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P = room pressure |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0001629 |
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4.9717 4.9717 6.9223 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .30028 .30028 0 .0077 .0077 .00401 -.0003 .0008 -.0008 |
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O .2392 .1044 .1787 .0244 .0086 .0062 -.0013 .0027 .0005 |
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| Download AMC data (View Text File)
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| |
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Cristobalite |
|
Downs R T, Palmer D C |
|
American Mineralogist 79 (1994) 9-14 |
|
The pressure behavior of alpha cristobalite |
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P = 0.19 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0001630 |
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4.9501 4.9501 6.8760 90 90 90 P4_12_12 |
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atom x y z Biso |
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Si .3027 .3027 0 .80 |
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O .2388 .1086 .1817 1.22 |
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| Download AMC data (View Text File)
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| |
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Cristobalite |
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Downs R T, Palmer D C |
|
American Mineralogist 79 (1994) 9-14 |
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The pressure behavior of alpha cristobalite |
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P = 0.73 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0001631 |
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4.9028 4.9028 6.7782 90 90 90 P4_12_12 |
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atom x y z Biso |
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Si .3086 .3086 0 .63 |
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O .2364 .1198 .1870 1.07 |
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| Download AMC data (View Text File)
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Cristobalite |
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Downs R T, Palmer D C |
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American Mineralogist 79 (1994) 9-14 |
|
The pressure behavior of alpha cristobalite |
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P = 1.05 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0001632 |
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4.8757 4.8757 6.7163 90 90 90 P4_12_12 |
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atom x y z Biso |
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Si .3125 .3125 0 .51 |
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O .2356 .1269 .1904 1.12 |
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| Download AMC data (View Text File)
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Cristobalite |
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Matsui M, Sato T, Funamori N |
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American Mineralogist 99 (2014) 184-189 |
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Crystal structures and stabilities of cristobalite-helium phases at high pressures |
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Note: P = 10 GPa |
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Locality: calculated structure |
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_database_code_amcsd 0020170 |
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8.062 4.797 9.491 90 120.43 90 P2_1/c |
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atom x y z |
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Si1 .6234 .3883 .8382 |
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Si2 .8726 .1215 .7119 |
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O1 .8001 .2641 .8249 |
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O2 .6910 .4121 .0293 |
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O3 .4354 .1912 .7477 |
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O4 .0373 .3184 .7146 |
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He1 .6328 .5935 .5320 |
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He2 .1379 .3315 .5136 |
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| Download AMC data (View Text File)
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Cristobalite |
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Matsui M, Sato T, Funamori N |
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American Mineralogist 99 (2014) 184-189 |
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Crystal structures and stabilities of cristobalite-helium phases at high pressures |
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Note: P = 4 GPa |
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Locality: calculated structure |
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_database_code_amcsd 0020171 |
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9.080 9.080 9.080 31.809 31.809 31.809 R-3c |
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atom x y z |
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Si .5622 .5622 .5622 |
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O1 .5 .5 .5 |
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O2 .8523 .6477 .25 |
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He .8234 .8234 .8234 |
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| Download AMC data (View Text File)
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) 517-529 |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 0.2 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018342 |
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4.9501 4.9501 6.9259 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3027 .3027 0 .0101 |
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O .2388 .1086 .1817 .015 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) 517-529 |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 0.6 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018343 |
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4.908 4.908 6.784 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3083 .3083 0 .018 |
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O .2387 .1161 .1865 .011 |
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| Download AMC data (View Text File)
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) 517-529 |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 3.6 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018344 |
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4.746 4.746 6.445 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3237 .3237 0 .012 |
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O .2338 .1546 .1992 .010 |
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| Download AMC data (View Text File)
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| |
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) 517-529 |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 5.4 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018345 |
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4.682 4.682 6.311 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3316 .3316 0 .009 |
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O .2297 .1648 .2119 .005 |
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| Download AMC data (View Text File)
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| |
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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) 517-529 |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 7.3 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018346 |
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4.632 4.632 6.209 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3353 .3353 0 .007 |
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O .2276 .1768 .2228 .008 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) 517-529 |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 9.1 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018347 |
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4.599 4.599 6.130 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3396 .3396 0 .014 |
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O .2238 .1800 .2164 .011 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) 517-529 |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 3.5 GPa, data transformed from Dove et al (2000) |
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_database_code_amcsd 0018348 |
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8.011 4.544 8.890 90 121.0 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6274 .2661 .8461 .018 |
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Si2 .8660 .0221 .7189 .018 |
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O1 .8152 .1255 .8517 .028 |
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O2 .6944 .4046 .0275 .028 |
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O3 .4637 .0262 .7952 .028 |
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O4 .0696 .1948 .7604 .028 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) 517-529 |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 4.9 GPa |
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Note z-coordinate of O2 is corrected |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018349 |
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8.011 4.544 8.890 90 121.0 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6265 .2742 .8472 .011 |
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Si2 .8757 .0079 .7218 .014 |
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O1 .8110 .1122 .8606 .015 |
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O2 .6980 .4261 .0330 .019 |
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O3 .4636 .0326 .8042 .011 |
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O4 .0665 .1704 .7533 .016 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Cristobalite II |
| |
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) 517-529 |
|
New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 7.4 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018350 |
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7.894 4.456 8.582 90 119.7 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6274 .2767 .8492 .008 |
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Si2 .8757 .9875 .7260 .011 |
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O1 .8107 .1082 .8680 .008 |
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O2 .6889 .4490 .0333 .017 |
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O3 .4534 .0338 .8043 .016 |
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O4 .0689 .1382 .7504 .014 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) 517-529 |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 10.1 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018351 |
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7.803 4.382 8.366 90 118.7 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6258 .2822 .8522 .010 |
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Si2 .8769 .9612 .7287 .008 |
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O1 .8230 .1155 .8780 .020 |
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O2 .6839 .4673 .0384 .010 |
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O3 .4551 .0478 .8067 .018 |
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O4 .0670 .1033 .7402 .027 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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|
Cristobalite |
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Lee S, Xu H |
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Acta Crystallographica B75 (2019) https://doi.org/10.1107/S2052520619000933 |
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Using powder XRD and pair distribution function to determine anisotropic |
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atomic displacement parameters of orthorhombic tridymite and |
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tetragonal cristobalite |
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Locality: rhyolitic rock, New Mexico, USA |
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_database_code_amcsd 0020745 |
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4.9727 4.9727 6.9257 90 90 90 P4_12_12 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si .3007 .3007 0 2.729 .0089 .0086 .0088 -.001 .002 -.002 |
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O .2390 .1041 .1787 1.476 .0289 .0094 .0178 -.002 .006 .001 |
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| Download AMC data (View Text File)
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Cristobalite high |
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Wyckoff R |
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Zeitschrift fur Kristallographie 62 (1925) 189-200 |
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Die Kristallstruktur von $-beta-Crystobalit Si O2 (bei hohen |
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Temperaturen stabile Form). |
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_cod_database_code 1010944 |
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_database_code_amcsd 0017665 |
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7.12 7.12 7.12 90 90 90 Fd3m |
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atom x y z |
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Si1 0 0 0 |
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O1 .125 .125 .125 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Cristobalite low |
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Nieuwenkamp W |
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Zeitschrift fur Kristallographie 92 (1935) 82-88 |
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Die Kristallstruktur des Tief-Cristobalits Si O2 |
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_cod_database_code 1010938 |
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_database_code_amcsd 0017659 |
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4.964 4.964 6.920 90 90 90 P4_12_12 |
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atom x y z |
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Si1 .300 .300 0 |
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O1 .245 .10 .175 |
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| Download AMC data (View Text File)
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Cristobalite |
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Dollase W A |
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Zeitschrift fur Kristallographie 121 (1965) 369-377 |
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Reinvestigation of the structure of low cristobalite |
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Locality: Ellora, Hyderabad, India |
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_database_code_amcsd 0010623 |
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4.978 4.978 6.948 90 90 90 P4_12_12 |
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atom x y z Biso |
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Si .30004 .30004 0 .83 |
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O .23976 .10324 .17844 1.55 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 28 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010747 |
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4.979 4.979 6.950 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .3001705 .3001705 0 .0072851 .0072851 .0042809 .0002128 .00042 -.00042 |
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O .2394414 .104921 .178516 .0238455 .0068376 .0064327 -.0011804 .0026112 .0006267 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 65 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010748 |
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4.982 4.982 6.963 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .2989738 .2989738 0 .0083606 .0083606 .0043347 .0002178 .0007864 -.0007864 |
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O .2398881 .1034721 .1781282 .029402 .0080395 .007507 -.0005712 .0036517 .0022305 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 103 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010749 |
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4.986 4.986 6.977 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .2988222 .2988222 0 .0090977 .0090977 .005084 .0001332 .0007865 -.0007865 |
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O .2407835 .101708 .176626 .0321369 .0113286 .0081336 -.0002324 .0034432 .0022964 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
|
Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 142 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010750 |
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4.989 4.989 6.991 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .297673 .297673 0 .0102561 .0102561 .0054842 -.0002928 .0008236 -.0008236 |
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O .2410227 .0999381 .1760246 .0341635 .0116554 .0089425 -.0017053 .0047251 .0025348 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
|
Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 179 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010751 |
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4.993 4.993 7.005 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .2966494 .2966494 0 .0117442 .0117442 .0060576 .0002363 .0012906 -.0012906 |
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O .2406035 .0965985 .1746805 .0402564 .0141191 .0109623 -.0011189 .0056556 .0022687 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
|
Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Note: Cell has been corrected |
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Sample: T = 210 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010752 |
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4.996 4.996 7.016 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .2952486 .2952486 0 .0121174 .0121174 .0065208 .0000759 .0010809 -.0010809 |
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O .240604 .0951468 .174822 .0425299 .0123629 .0119865 .0001831 .0044144 .0024522 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
|
Peacor D R |
|
Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 221 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010753 |
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7.166 7.166 7.166 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .0162381 .0162381 .0162381 0 0 0 |
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O 0 .0443541 -.0443541 1/6 .0146814 .0181157 .0181157 .001317 .001317 -.0010763 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Cristobalite |
|
Peacor D R |
|
Zeitschrift fur Kristallographie 138 (1973) 274-298 |
|
High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 221 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010754 |
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7.166 7.166 7.166 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .0162381 .0162381 .0162381 0 0 0 |
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O 0 0 0 .06814 .0181157 .0181157 .001317 .001317 -.0010763 |
|
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| Download AMC data (View Text File)
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 248 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010755 |
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7.166 7.166 7.166 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .0159539 .0159539 .0159539 0 0 0 |
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O 0 .0434926 -.0434926 1/6 .0166087 .0179334 .0179334 -.0005023 -.0005023 .0013341 |
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| Download AMC data (View Text File)
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 273 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010756 |
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7.166 7.166 7.166 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .0164593 .0164593 .0164593 0 0 0 |
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O 0 .0439802 -.0439802 1/6 .0168975 .0195017 .0195017 .00015 .00015 -.001573 |
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| Download AMC data (View Text File)
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Cristobalite |
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Peacor D R |
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Zeitschrift fur Kristallographie 138 (1973) 274-298 |
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High-temperature single-crystal study of the cristobalite inversion |
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Sample: T = 310 C |
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Locality: Ellora Caves, Hyderabad State, India |
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_database_code_amcsd 0010757 |
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7.166 7.166 7.166 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .125 .125 .125 .0162266 .0162266 .0162266 0 0 0 |
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O 0 .0426811 -.0426811 1/6 .0191835 .0190393 .0190393 -.0002151 -.0002151 .0001448 |
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Cristobalite high |
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Wyckoff R |
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American Journal of Science 9 (1925) 448-459 |
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The crystal structure of the high temperature form of Cristobalite (SiO2) |
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_cod_database_code 1010954 |
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_database_code_amcsd 0017674 |
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7.12 7.12 7.12 90 90 90 F4_132 |
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atom x y z |
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Si1 0 0 0 |
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O1 .125 .125 .125 |
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Cristobalite high |
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Barth T |
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American Journal of Science 23 (1932) 350-356 |
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The Cristobalite Structures. I. High-Cristobalite |
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_cod_database_code 1010921 |
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_database_code_amcsd 0017646 |
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7.16 7.16 7.16 90 90 90 P2_13 |
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atom x y z |
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Si1 .255 .255 .255 |
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Si2 -.008 -.008 -.008 |
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O1 .125 .125 .125 |
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O2 .660 .660 .062 |
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Cristobalite |
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Pluth J J, Smith J V, Faber J |
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Journal of Applied Physics 57 (1985) 1045-1049 |
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Crystal structure of low cristobalite at 10, 293, and 473 K: |
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Variation of framework geometry with temperature |
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Sample: T = 10 K |
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Locality: synthetic |
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_database_code_amcsd 0012928 |
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4.9570 4.9570 6.8903 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .3047 .3047 0 .0015 .0015 .0012 .0004 .0005 -.0005 |
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O .2381 .1109 .1826 .0073 .0004 .0022 -.0006 .0006 .0013 |
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Cristobalite |
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Pluth J J, Smith J V, Faber J |
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Journal of Applied Physics 57 (1985) 1045-1049 |
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Crystal structure of low cristobalite at 10, 293, and 473 K: |
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Variation of framework geometry with temperature |
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Sample: T = 296 K |
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Locality: synthetic |
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_database_code_amcsd 0012929 |
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4.9709 4.9709 6.9278 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .3005 .3005 0 .0104 .0104 .0056 .0019 .0002 -.0002 |
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O .2392 .1037 .1786 .0319 .0069 .0090 -.0030 .0017 .0037 |
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Cristobalite |
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Pluth J J, Smith J V, Faber J |
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Journal of Applied Physics 57 (1985) 1045-1049 |
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Crystal structure of low cristobalite at 10, 293, and 473 K: |
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Variation of framework geometry with temperature |
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Sample: T = 473 K |
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Locality: synthetic |
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_database_code_amcsd 0012930 |
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4.9877 4.9877 6.9697 90 90 90 P4_12_12 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Si .2949 .2949 0 .0139 .0139 .0077 .0000 -.0006 .0006 |
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O .2416 .0968 .1747 .0466 .0106 .0128 -.0022 .0089 .0052 |
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Cristobalite |
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Le Bail A |
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Journal of Non-Crystalline Solids 183 (1995) 39-42 |
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Modelling the silica glass structure by the Rietveld method |
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Note: model for amorphous silica based on cristobalite-type topology |
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_database_code_amcsd 0020708 |
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7.22 7.09 7.30 90 90 90 P2_12_12_1 |
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atom x y z |
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Si1 .277 .275 .282 |
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Si2 .009 .022 .016 |
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O1 .125 .149 .152 |
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O2 .635 .657 .061 |
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O3 .065 .646 .654 |
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O4 .670 .060 .621 |
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Cristobalite |
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Gibbs G V, Boisen M B, Downs R T, Lasaga A C |
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Materials Research Society Symposia Proceedings 121 (1988) 155-165 |
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Mathematical Modeling of the structures and bulk moduli of TX2 quartz |
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and cristobalite structure types, T = C, Si, Ge and X = O, S |
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Locality: theoretical |
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_database_code_amcsd 0018754 |
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4.973 4.973 6.627 90 90 90 P4_12_12 |
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atom x y z |
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Si .312 .312 0 |
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O .234 .123 .192 |
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Cristobalite |
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Dove M T, Craig M S, Keen D A, Marshall W G, Redfern S A T, Trachenko K O, Tucker M G |
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Mineralogical Magazine 64 (2000) 569-576 |
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Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 |
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Locality: synthetic |
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Note: P = 3.5 GPa, refinement by unconstrained Rietveld analysis |
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_database_code_amcsd 0014541 |
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8.3780 4.6018 9.0568 90 124.949 90 P2_1/c |
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atom x y z Uiso |
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Si1 .3726 .7339 .2187 -.0018 |
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Si2 .1340 .9779 .8529 -.0018 |
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O1 .1848 .8745 .0365 .0028 |
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O2 .3056 .5954 .3331 .0028 |
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O3 .5363 .9738 .3315 .0028 |
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O4 .9304 .8052 .6908 .0028 |
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|
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| |
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Cristobalite |
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Dove M T, Craig M S, Keen D A, Marshall W G, Redfern S A T, Trachenko K O, Tucker M G |
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Mineralogical Magazine 64 (2000) 569-576 |
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Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2 |
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Locality: synthetic |
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Note: P = 3.5 GPa, refinement by constrained Rietveld analysis |
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_database_code_amcsd 0014542 |
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8.3769 4.6020 9.0583 90 124.939 90 P2_1/c |
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atom x y z Uiso |
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Si1 .3725 .7310 .2145 -.0003 |
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Si2 .1207 .9699 .8403 -.0003 |
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O1 .1859 .8645 .0351 .0044 |
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O2 .2997 .5912 .3276 .0044 |
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O3 .5296 .9791 .3297 .0044 |
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O4 .927 .8089 .6839 .0044 |
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| Download AMC data (View Text File)
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| |
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